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dmol-book Public
Deep learning for molecules and materials book
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skunk Public
Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.
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aviary Public
Forked from Future-House/aviaryGymnasium framework for training language model agents on constructive tasks
Python Apache License 2.0 UpdatedJan 17, 2025 -
ldp Public
Forked from Future-House/ldpAgent framework for constructing language model agents and training on constructive tasks.
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poly Public
Forked from bebop/polyA Go package for engineering organisms.
Go MIT License UpdatedOct 21, 2024 -
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symd Public
N-Dimensional MD engine with symmetry group constraints written in C
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litellm Public
Forked from BerriAI/litellmCall all LLM APIs using the OpenAI format. Use Bedrock, Azure, OpenAI, Cohere, Anthropic, Ollama, Sagemaker, HuggingFace, Replicate (100+ LLMs)
Python Other UpdatedApr 23, 2024 -
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whisper.cpp Public
Forked from ggml-org/whisper.cppPort of OpenAI's Whisper model in C/C++
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electronic-dance-music Public
Experiment directed metadynamics plugin in for lammps or other engines
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smilesDrawer Public
Forked from reymond-group/smilesDrawerA small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
JavaScript MIT License UpdatedApr 2, 2023 -
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molskill Public
Forked from microsoft/molskillLearning chemical intuition from humans in the loop. Supporting code.
Python MIT License UpdatedFeb 24, 2023 -
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nlcc Public
Natural language computational chemistry command line interface.
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